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CHEBI:145168 - Luperoside I

ChEBI IDCHEBI:145168
ChEBI NameLuperoside I
Stars
Last Modified30 January 2020
Submittermwilliams
DownloadsMolfile
FormulaC70H110O35
Net Charge0
Average Mass1511.615
Monoisotopic Mass1510.68277
SMILES[H][C@@]12CC=C3[C@@]4([H])CC(C)(C)CC[C@@]4(C(=O)O[C@@H]4O[C@H](C)[C@@H](O)[C@@H](O[C@H]5O[C@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H]4O[C@H]4O[C@H](C)[C@@H](O[C@@H]5OC[C@@H](O)[C@@H](O)[C@H]5O)C(O)[C@H]4O)CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@H]3OC[C@@H](O)[C@H](O)[C@@H]3O)[C@H]2O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@]1(C)C=O
InChIInChI=1S/C70H110O35/c1-25-36(75)41(80)46(85)59(94-25)101-51-37(76)26(2)95-62(54(51)103-60-48(87)43(82)50(27(3)96-60)99-57-44(83)38(77)30(73)22-92-57)105-64(91)70-18-16-65(4,5)20-29(70)28-10-11-34-66(6)14-13-35(67(7,24-72)33(66)12-15-69(34,9)68(28,8)17-19-70)98-63-55(104-61-47(86)42(81)40(79)32(21-71)97-61)52(49(88)53(102-63)56(89)90)100-58-45(84)39(78)31(74)23-93-58/h10,24-27,29-55,57-63,71,73-88H,11-23H2,1-9H3,(H,89,90)/t25-,26-,27-,29-,30-,31-,32+,33-,34+,35+,36+,37-,38-,39+,40+,41-,42-,43?,44-,45+,46-,47+,48-,49+,50-,51-,52+,53+,54-,55-,57+,58-,59-,60-,61+,62+,63-,66+,67+,68-,69-,70-/m1/s1
InChIKeyGNLYEGHDTBBEHJ-IJUVRUCMSA-N
Species of MetaboliteComponentSourceComments
Momordica charantia (ncbitaxon:3673) seed (BTO:0001226) MetaboLights (MTBLS701)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Luperoside I (CHEBI:145168) is a pentacyclic triterpenoid (CHEBI:25872)
Luperoside I (CHEBI:145168) is a triterpenoid saponin (CHEBI:61778)
Manual XrefsDatabases
C00039664KNApSAcK